3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide

C10H10ClIN2O2S — CID 106442080

IUPAC3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCI)cc1Cl
InChIInChI=1S/C10H10ClIN2O2S/c11-10-6-9(3-2-8(10)7-13)17(15,16)14-5-1-4-12/h2-3,6,14H,1,4-5H2
InChIKeyKCEYZNYSTKAVQR-UHFFFAOYSA-N
MW384.63 g/mol
LogP2.32
Rot. Bonds5

About 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide

3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide (PubChem CID 106442080) has the molecular formula C10H10ClIN2O2S and a molecular weight of 384.63 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
PubChem CID106442080
Molecular FormulaC10H10ClIN2O2S
Molecular Weight384.63 g/mol
Exact Mass383.92
IUPAC Name3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCI)cc1Cl
InChIInChI=1S/C10H10ClIN2O2S/c11-10-6-9(3-2-8(10)7-13)17(15,16)14-5-1-4-12/h2-3,6,14H,1,4-5H2
InChIKeyKCEYZNYSTKAVQR-UHFFFAOYSA-N
XLogP2.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
3-chloro-4-cyano-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834864
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 115588783
3-chloro-4-cyano-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 51115598

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide (CID 106442080) is 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCCI)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide?
The InChIKey is KCEYZNYSTKAVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2O2S/c11-10-6-9(3-2-8(10)7-13)17(15,16)14-5-1-4-12/h2-3,6,14H,1,4-5H2.
What are the key properties of 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide?
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide has a molecular weight of 384.63 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide is sourced from PubChem (CID 106442080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).